1. Amine-bridged binuclear palladium(II) complexes with inosine. Equilibrium studies and DFT calculations.
- Author
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Mohamed, Mahmoud M.A., Weber, Immo, Puchta, Ralph, Shoukry, Mohamed M., and van Eldik, Rudi
- Subjects
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AMINES , *PALLADIUM compounds , *METAL complexes , *INOSINE , *DENSITY functional theory , *IONIC strength , *CRYSTAL structure - Abstract
Complex-formation equilibria involvingtrans-diamine palladium(II) (PdII), 4,4?-bipyridine (bpy), and inosine were investigated at 25?°C and 0.1?M (NaNO3) ionic strength. The stability constants of all possible mono-nuclear and binuclear complexes were determined. The concentration distribution diagram for the binuclear complexes of PdII-bpy-inosine reveals the complexes that predominate in the physiological pH range and the quite feasible interaction of the binuclear complex PdII-bpy-PdIIwith inosine as a DNA constituent. On the basis of DFT calculations (B3LYP/LANL2DZp), the structures of the investigated equilibrium species show typical bond lengths for Pd–O and Pd–N bonds. The C–C bond in [Pd(4,4?-bpy)(NH3)2(OH2)]2+is clearly shortened to 1.47?Å, leading to reduced aromaticity in bpy. Comparison with model compounds suggests that the uncoordinated aromatic ring can be understood as an electron donating group. [ABSTRACT FROM AUTHOR]
- Published
- 2013
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